CYP1A1-IN-2

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CYP1A1-IN-2 (Compound 14) is a competitive inhibitor of CYP1A1 (K_i: 1.4 μM). CYP1A1-IN-2 exhibits potent antimitotic activity and arrests cell in the G2/M phase. CYP1A1-IN-2 disrupts the microtubule and the cytoskeleton in CYP1A1-expressing breast cancer cells.

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CYP1A1-IN-2 Chemical Structure

CAS No. : 1422527-87-4

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•Related Small Molecules:

•Related Proteins:

View All Cytochrome P450 Isoform Specific Products:

View All Isoforms

CYP1 CYP2 CYP3 CYP4 CYP11 CYP17 Aromatase/CYP19A1 CYP26 CYP51 CYP1A2 CYP2D6 CYP2C9 CYP2C19 CYP3A CYP3A4 CYP17A1

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

CYP1A1

1.4 μM (Ki)

Cellular Effect

Cell Line	Type	Value	Description	References
HT-1080	IC₅₀	30 nM Compound: 14	Antiproliferative activity against human HT-1080 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-1080 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
HT-1080	IC₅₀	4440 nM Compound: 14	Antiproliferative activity against human HT-1080 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-1080 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
HT-1080	IC₅₀	5900 nM Compound: 14	Antiproliferative activity against human HT-1080 cells transfected with empty vector assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-1080 cells transfected with empty vector assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
HT-29	IC₅₀	> 12500 nM Compound: 14	Antiproliferative activity against human HT-29 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-29 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
M21	IC₅₀	> 12500 nM Compound: 14	Antiproliferative activity against human M21 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human M21 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
MCF7	IC₅₀	200 nM Compound: 14	Antiproliferative activity against human MCF7 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human MCF7 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
MCF7	IC₅₀	38 nM Compound: 14	Antiproliferative activity against ER/PR/HER2-positive human MCF7 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR/HER2-positive human MCF7 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
MDA-MB-231	IC₅₀	8600 nM Compound: 14	Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-231 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-231 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
MDA-MB-468	IC₅₀	21 nM Compound: 14	Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-468 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-468 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
SK-BR-3	IC₅₀	3.2 nM Compound: 14	Antiproliferative activity against ER/PR-negative HER2-positive human SK-BR-3 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR-negative HER2-positive human SK-BR-3 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
T47D	IC₅₀	1000 nM Compound: 14	Antiproliferative activity against ER/PR-positive HER2-negative human T47D cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR-positive HER2-negative human T47D cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]

In Vitro

CYP1A1-IN-2 (Compound 14, 48 h) inhibits MCF-7 cell growth, with an IC₅₀ of 200 nM, and is inactive on MDA-MB-231 (IC₅₀ >8600 nM)^[1].
CYP1A1-IN-2 inhibits MDA-MB-468, SK-BR cell growth with IC₅₀s of 21 nM, 3.2 nM^[1].
CYP1A1-IN-2 (50 nM, 48 h) causes accumulation of the cells in the G2/M phase by 42%^[1].
CYP1A1-IN-2 shows high affinity for CYP1A1 (K_i: 1.4 μM)^[1].
CYP1A1-IN-2 selectively inhibits HT-1080 cell proliferation, with IC₅₀s of 30 nM for HT-1080 transfected withCYP1A1^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Viability Assay^[1]

Cell Line:	MCF-7 cell
Concentration:	50 nM
Incubation Time:	48 h
Result:	Arrested cell in G2/M phase.

In Vivo

CYP1A1-IN-2 (Compound 14) (1 μg/egg) shows antitumoral activities in the chick embryos bearing HT-1080CYP1A1 tumors^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	Chick embryos grafted with HT-1080CYP1A1 cells^[1]
Dosage:	1 μg/egg
Administration:	Applied to chick chorioallantoic membrane.
Result:	Reduced tumor weight by 49%.

Molecular Weight

478.56

Formula

C₂₃H₃₀N₂O₇S

CAS No.

1422527-87-4

SMILES

CCCCCN1CCN(C2=CC=C(S(=O)(OC3=CC(OC)=C(C(OC)=C3)OC)=O)C=C2)C1=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Chavez Alvarez AC, et al. Homologation of the Alkyl Side Chain of Antimitotic Phenyl 4-(2-Oxo-3-alkylimidazolidin-1-yl)benzenesulfonate Prodrugs Selectively Targeting CYP1A1-Expressing Breast Cancers Improves Their Stability in Rodent Liver Microsomes. J Med Chem. 2023 Feb 23;66(4):2477-2497. [Content Brief]

CYP1A1-IN-2 Related Classifications

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Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

CYP1A1-IN-21422527-87-4Cytochrome P450CYPsAnti-tumorMCF-7CYP1A1HT-1080breast cancerMDA-MB-468SK-BRInhibitorinhibitorinhibit

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